Geometry & MOs

Info

ID:	50432
PubChem CID:	12012968
Reduced:	ClSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	278.016828
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	5.0
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-9-methyl-2H-thiopyrano[3,2-c]chromen-5-one

Drug info:

PubChemData

Smile

C1C=C(C2=C(S1)C3=CC=CC=C3OC2=O)CCl

DOS

IR

Vibrations